5-bromo-4-N-(3-methylcyclopentyl)-2-N-propylpyrimidine-2,4-diamine

C13H21BrN4 — CID 114541901

IUPAC5-bromo-4-N-(3-methylcyclopentyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(Br)c(NC2CCC(C)C2)n1
InChIInChI=1S/C13H21BrN4/c1-3-6-15-13-16-8-11(14)12(18-13)17-10-5-4-9(2)7-10/h8-10H,3-7H2,1-2H3,(H2,15,16,17,18)
InChIKeyYMCZTTWYJQMWAN-UHFFFAOYSA-N
MW313.24 g/mol
LogP3.66
Rot. Bonds5

About 5-bromo-4-N-(3-methylcyclopentyl)-2-N-propylpyrimidine-2,4-diamine

5-bromo-4-N-(3-methylcyclopentyl)-2-N-propylpyrimidine-2,4-diamine (PubChem CID 114541901) has the molecular formula C13H21BrN4 and a molecular weight of 313.24 g/mol. Its IUPAC name is 5-bromo-4-N-(3-methylcyclopentyl)-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-(3-methylcyclopentyl)-2-N-propylpyrimidine-2,4-diamine
PubChem CID114541901
Molecular FormulaC13H21BrN4
Molecular Weight313.24 g/mol
Exact Mass312.09
IUPAC Name5-bromo-4-N-(3-methylcyclopentyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(Br)c(NC2CCC(C)C2)n1
InChIInChI=1S/C13H21BrN4/c1-3-6-15-13-16-8-11(14)12(18-13)17-10-5-4-9(2)7-10/h8-10H,3-7H2,1-2H3,(H2,15,16,17,18)
InChIKeyYMCZTTWYJQMWAN-UHFFFAOYSA-N
XLogP3.66
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-bromo-4-N-(3-methylcyclopentyl)-2-N-propylpyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-4-N-cyclobutyl-2-N-propylpyrimidine-2,4-diamine
CID 80826452
5-bromo-4-N-(1-methylpiperidin-4-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80780154
5-fluoro-4-N-(3-methylcyclohexyl)-2-N-propylpyrimidine-2,4-diamine
CID 80783067
5-bromo-4-N-[(4-methylcyclohexyl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80828904
5-chloro-4-N-(3,4-dimethylcyclohexyl)-2-N-propylpyrimidine-2,4-diamine
CID 80841109
5-bromo-4-N-(3-methylcyclopentyl)-6-N-propylpyrimidine-4,6-diamine
CID 114072829
5-bromo-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80769891
4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-bromo-2-N-propylpyrimidine-2,4-diamine
CID 80784796
5-bromo-4-N-tert-butyl-2-N-propylpyrimidine-2,4-diamine
CID 80768856
3-[[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 106137969
5-bromo-4-N-(2,3-dimethylbutyl)-2-N-propylpyrimidine-2,4-diamine
CID 80845273
5-bromo-4-(3,5-dimethylpiperidin-1-yl)-N-propylpyrimidin-2-amine
CID 80767611

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-(3-methylcyclopentyl)-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-4-N-(3-methylcyclopentyl)-2-N-propylpyrimidine-2,4-diamine (CID 114541901) is 5-bromo-4-N-(3-methylcyclopentyl)-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-4-N-(3-methylcyclopentyl)-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-4-N-(3-methylcyclopentyl)-2-N-propylpyrimidine-2,4-diamine is CCCNc1ncc(Br)c(NC2CCC(C)C2)n1.
What is the InChIKey of 5-bromo-4-N-(3-methylcyclopentyl)-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is YMCZTTWYJQMWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN4/c1-3-6-15-13-16-8-11(14)12(18-13)17-10-5-4-9(2)7-10/h8-10H,3-7H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 5-bromo-4-N-(3-methylcyclopentyl)-2-N-propylpyrimidine-2,4-diamine?
5-bromo-4-N-(3-methylcyclopentyl)-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 313.24 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-(3-methylcyclopentyl)-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 114541901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).